Information card for entry 7031490

Structure parameters

• Formula: C93.5 H119 Cl3 Cu4 N4 O8
• Calculated formula: C93.5 H119 Cl3 Cu4 N4 O8
• Title of publication: Chiral tetranuclear and dinuclear copper(ii) complexes for TEMPO-mediated aerobic oxidation of alcohols: are four metal centres better than two?
• Authors of publication: Zhang, Guoqi; Proni, Gloria; Zhao, Sherry; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12313 - 12320
• a: 22.255 ± 0.002 Å
• b: 17.369 ± 0.002 Å
• c: 12.876 ± 0.0013 Å
• α: 90°
• β: 112.095 ± 0.007°
• γ: 90°
• Cell volume: 4611.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No